Crystallography Open Database

Information card for entry 2238742

Preview

Coordinates	2238742.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-iodido-bis(iodido{methyl 4-[(pyridin-2-ylmethylidene)amino]benzoate-κ^2^<i>N</i>,<i>N</i>'}cadmium)
Formula	C28 H24 Cd2 I4 N4 O4
Calculated formula	C28 H24 Cd2 I4 N4 O4
SMILES	c1[n]2c(ccc1)C=[N](c1ccc(cc1)C(=O)OC)[Cd]12([I][Cd]2([I]1)(I)[n]1ccccc1C=[N]2c1ccc(cc1)C(=O)OC)I
Title of publication	Di-μ-iodido-bis(iodido{methyl 4-[(pyridin-2-ylmethylidene)amino]benzoate-κ^2^<i>N</i>,<i>N</i>'}cadmium)
Authors of publication	Basu Baul, Tushar S.; Kundu, Sajal; Ng, Seik Weng; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m623 - m624
a	8.4883 ± 0.0003 Å
b	9.3677 ± 0.0005 Å
c	10.9029 ± 0.0005 Å
α	109.516 ± 0.005°
β	95.868 ± 0.003°
γ	90.242 ± 0.004°
Cell volume	812.18 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238742.cif
91150	2013-12-09	cif/ Adding structures of 2238742 via cif-deposit CGI script.	2238742.cif